| Identification | More | [Name]
N-(4-Aminobenzoyl)-beta-alanine | [CAS]
7377-08-4 | [Synonyms]
3-(4-AMINOBENZOYLAMINO)-PROPIONIC ACID
N-(4-AMINOBENZOYL)-BETA-ALANINE
TIMTEC-BB SBB000472
N-(4-Aminobenzoyl)-b-alanine
N-(4-AMINOBENZOYL)-BETA-ALANINE 97%
N-(4-Aminobenzoyl)-alanine,98%
N-(4-Aminobenzoyl)--alanine
n-(4-aminobenzoyl)-á-alanine
N-(P-AMINOBENZOYL)-BETA-ALANINE
N-(4-AMINOBENZOYL)-SS-ALANINE | [EINECS(EC#)]
616-017-7 | [Molecular Formula]
C10H12N2O3 | [MDL Number]
MFCD00009805 | [Molecular Weight]
208.21 | [MOL File]
7377-08-4.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light orange-brown crystalline powder | [Melting point ]
152-154 °C(lit.) | [Boiling point ]
347.41°C (rough estimate) | [density ]
1.2420 (rough estimate) | [vapor pressure ]
0Pa at 20℃ | [refractive index ]
1.4830 (estimate) | [storage temp. ]
under inert gas (nitrogen or Argon) at 2–8 °C | [solubility ]
DMSO, Methanol (Slightly), Water (Slightly, Heated) | [form ]
Solid | [pka]
4.36±0.10(Predicted) | [color ]
White to Off-White | [InChI]
InChI=1S/C10H12N2O3/c11-8-3-1-7(2-4-8)10(15)12-6-5-9(13)14/h1-4H,5-6,11H2,(H,12,15)(H,13,14) | [InChIKey]
VHAXWROFYVPXMZ-UHFFFAOYSA-N | [SMILES]
C1(C=CC(N)=CC=1)C(=O)NCCC(=O)O | [LogP]
-1.19 at 25℃ and pH7.5 | [Surface tension]
71.6mN/m at 1g/L and 20℃ | [CAS DataBase Reference]
7377-08-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [HS Code ]
2924.29.7790 |
| Hazard Information | Back Directory | [Description]
N-(4-Aminobenzoyl)-beta-alanine is a molecule that was identified in the 1960s and has been used extensively for research purposes. It is a prodrug that is converted to salicylic acid in vivo. The drug has been shown to scavenge reactive oxygen species, inhibit the enzyme catalase, and protect against oxidative damage. N-(4-Aminobenzoyl)-beta-alanine also provides protection against colitis by inhibiting peroxide production and preventing oxidative damage of colon cells. This drug is orally active and may have potential clinical applications for patients with catalase deficiency or peroxide-mediated diseases such as colitis.
| [Chemical Properties]
white to light orange-brown crystalline powder | [Uses]
N-(4-aminobenzoyl)-β-Alanine is a metabolite of BX661A, a therapeutic agent used in the treatment of ulcerative colitis, chemotaxis and reactive oxygen species production in polymorphonuclear leukocy
ctes. Inhibits lipid peroxidation in large intestinal mucosa after mesenteric ischemia/reperfusion. | [Definition]
ChEBI: 4-Aminobenzoyl-(beta)-alanine is an organooxygen compound and an organonitrogen compound. It is functionally related to a beta-amino acid. |
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